Number of particles = 654 A = 1 Angstrom (basic length-scale) H0(1,1) = 23.1061 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 92.5964 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.61978 A .NO_VELOCITY. entry_count = 7 auxiliary[0] = id auxiliary[1] = v_mass_metal auxiliary[2] = v_csym_metal auxiliary[3] = v_particle_eng_metal 63.546000 Cu 0.0313202 0.0331293 4.60065e-17 338 63.546 0.0267279 -3.53721 63.546000 Cu 0.0441493 0.00507639 9.52479e-17 341 63.546 0.0574095 -3.52607 63.546000 Cu 0.152713 0.00758166 1.19809e-19 342 63.546 0.275385 -3.51538 63.546000 Cu 0.0921685 0.0200965 0.5 343 63.546 0.0947815 -3.53356 63.546000 Cu 0.139956 0.0360414 4.60065e-17 355 63.546 0.0623217 -3.54008 63.546000 Cu 0.199461 0.0245133 0.5 357 63.546 0.0861559 -3.52102 63.546000 Cu 0.248406 0.0413168 1 356 63.546 0.088313 -3.51842 63.546000 Cu 0.260021 0.0148847 1 359 63.546 0.520678 -3.46887 63.546000 Cu 0.371964 0.0174803 2.45009e-16 360 63.546 0.0302261 -3.53307 63.546000 Cu 0.322465 0.00352601 0.5 361 63.546 0.443491 -3.4996 63.546000 Cu 0.309861 0.0299002 0.5 362 63.546 0.134362 -3.52315 63.546000 Cu 0.359436 0.0444309 4.60065e-17 381 63.546 0.0219603 -3.53515 63.546000 Cu 0.433711 0.00440265 0.5 363 63.546 0.0267159 -3.53324 63.546000 Cu 0.470037 0.0461506 1.77317e-17 382 63.546 0.00558763 -3.53756 63.546000 Cu 0.421158 0.0316923 0.5 383 63.546 0.00588908 -3.53622 63.546000 Cu 0.482793 0.0185379 1.19809e-19 385 63.546 0.00996375 -3.53258 63.546000 Cu 0.592168 0.0200965 8.5184e-17 386 63.546 0.0947815 -3.53356 63.546000 Cu 0.544149 0.00507639 0.5 387 63.546 0.0574095 -3.52607 63.546000 Cu 0.53132 0.0331293 0.5 388 63.546 0.0267279 -3.53721 63.546000 Cu 0.652713 0.00758166 0.5 389 63.546 0.275385 -3.51538 63.546000 Cu 0.639956 0.0360414 0.5 417 63.546 0.0623217 -3.54008 63.546000 Cu 0.699461 0.0245133 3.17493e-17 419 63.546 0.0861559 -3.52102 63.546000 Cu 0.760021 0.0148847 0.5 421 63.546 0.520678 -3.46887 63.546000 Cu 0.748406 0.0413168 0.5 422 63.546 0.088313 -3.51842 63.546000 Cu 0.809861 0.0299002 1.19809e-19 420 63.546 0.134362 -3.52315 63.546000 Cu 0.822465 0.00352601 1 331 63.546 0.443491 -3.4996 63.546000 Cu 0.933711 0.00440265 2.27996e-16 332 63.546 0.0267159 -3.53324 63.546000 Cu 0.871964 0.0174803 0.5 333 63.546 0.0302261 -3.53307 63.546000 Cu 0.859436 0.0444309 0.5 335 63.546 0.0219603 -3.53515 63.546000 Cu 0.921158 0.0316923 7.1406e-17 337 63.546 0.00588908 -3.53622 63.546000 Cu 0.982793 0.0185379 0.5 339 63.546 0.00996375 -3.53258 63.546000 Cu 0.970037 0.0461506 0.5 340 63.546 0.00558763 -3.53756 63.546000 Cu 0.0185974 0.0609748 4.60065e-17 351 63.546 0.0132411 -3.54032 63.546000 Cu 0.127629 0.0640183 0 352 63.546 0.0181073 -3.54143 63.546000 Cu 0.0794761 0.0483173 0.5 353 63.546 0.0368749 -3.54123 63.546000 Cu 0.0670248 0.0762174 0.5 354 63.546 0.0138649 -3.54191 63.546000 Cu 0.187906 0.0522989 0.5 358 63.546 0.0140417 -3.53667 63.546000 Cu 0.115481 0.0917556 1.02197e-16 373 63.546 0.00576622 -3.54126 63.546000 Cu 0.176034 0.0798609 0.5 375 63.546 0.00333144 -3.53903 63.546000 Cu 0.00617965 0.0886838 4.60065e-17 348 63.546 0.00547682 -3.54106 63.546000 Cu 0.236681 0.0682989 4.60065e-17 377 63.546 0.0194652 -3.53296 63.546000 Cu 0.347148 0.071499 3.61822e-17 378 63.546 0.0114441 -3.53652 63.546000 Cu 0.297847 0.056639 0.5 379 63.546 0.0443473 -3.53143 63.546000 Cu 0.285853 0.0836456 0.5 380 63.546 0.0149822 -3.53553 63.546000 Cu 0.39625 0.0862819 0.5 409 63.546 0.00162741 -3.53862 63.546000 Cu 0.408582 0.0589772 0.5 384 63.546 0.00343451 -3.53746 63.546000 Cu 0.457479 0.0736888 4.60065e-17 411 63.546 0.00303723 -3.5394 63.546000 Cu 0.567025 0.0762174 2.39617e-19 412 63.546 0.0138649 -3.54191 63.546000 Cu 0.518597 0.0609748 0.5 413 63.546 0.0132411 -3.54032 63.546000 Cu 0.50618 0.0886838 0.5 414 63.546 0.00547682 -3.54106 63.546000 Cu 0.579476 0.0483173 3.59426e-19 415 63.546 0.0368749 -3.54123 63.546000 Cu 0.687906 0.0522989 4.60065e-17 416 63.546 0.0140417 -3.53667 63.546000 Cu 0.627629 0.0640183 0.5 418 63.546 0.0181073 -3.54143 63.546000 Cu 0.615481 0.0917556 0.5 449 63.546 0.00576622 -3.54126 63.546000 Cu 0.676034 0.0798609 1.19809e-19 451 63.546 0.00333144 -3.53903 63.546000 Cu 0.785853 0.0836456 1.34665e-16 452 63.546 0.0149822 -3.53553 63.546000 Cu 0.736681 0.0682989 0.5 453 63.546 0.0194652 -3.53296 63.546000 Cu 0.797847 0.056639 2.91135e-17 455 63.546 0.0443473 -3.53143 63.546000 Cu 0.908582 0.0589772 0 334 63.546 0.00343451 -3.53746 63.546000 Cu 0.847148 0.071499 0.5 336 63.546 0.0114441 -3.53652 63.546000 Cu 0.89625 0.0862819 3.70209e-17 347 63.546 0.00162741 -3.53862 63.546000 Cu 0.957479 0.0736888 0.5 349 63.546 0.00303723 -3.5394 63.546000 Cu 0.103465 0.119358 4.60065e-17 370 63.546 0.00208413 -3.54071 63.546000 Cu 0.0547715 0.103947 0.5 371 63.546 0.0045396 -3.54142 63.546000 Cu 0.0428186 0.131555 0.5 372 63.546 0.00152035 -3.54091 63.546000 Cu 0.164133 0.107349 0.5 376 63.546 0.00099926 -3.53959 63.546000 Cu 0.152385 0.134808 0.5 401 63.546 0.000443238 -3.53976 63.546000 Cu 0.224869 0.0955078 0 374 63.546 0.00542248 -3.53702 63.546000 Cu 0.213047 0.122815 0 403 63.546 0.00189863 -3.53851 63.546000 Cu 0.323068 0.125932 1.24481e-16 404 63.546 0.00177154 -3.53853 63.546000 Cu 0.273925 0.110818 0.5 405 63.546 0.00494043 -3.53738 63.546000 Cu 0.262224 0.138096 0.5 406 63.546 0.00165846 -3.53872 63.546000 Cu 0.335002 0.0986714 9.10546e-17 407 63.546 0.00480975 -3.53773 63.546000 Cu 0.384072 0.113632 0.5 410 63.546 0.000804917 -3.53929 63.546000 Cu 0.372271 0.141013 0.5 441 63.546 0.000383102 -3.53977 63.546000 Cu 0.445158 0.101187 4.60065e-17 408 63.546 0.00142914 -3.54015 63.546000 Cu 0.433076 0.128669 4.60065e-17 443 63.546 0.000660976 -3.54039 63.546000 Cu 0.542819 0.131555 4.60065e-17 444 63.546 0.00152035 -3.54091 63.546000 Cu 0.493959 0.116289 0.5 445 63.546 0.00217102 -3.54095 63.546000 Cu 0.554772 0.103947 4.60065e-17 447 63.546 0.0045396 -3.54142 63.546000 Cu 0.724869 0.0955078 0.5 454 63.546 0.00542248 -3.53702 63.546000 Cu 0.603465 0.119358 0.5 450 63.546 0.00208413 -3.54071 63.546000 Cu 0.664133 0.107349 4.60065e-17 448 63.546 0.00099926 -3.53959 63.546000 Cu 0.652385 0.134808 0 483 63.546 0.000443238 -3.53976 63.546000 Cu 0.762224 0.138096 1.19809e-19 484 63.546 0.00165846 -3.53872 63.546000 Cu 0.713047 0.122815 0.5 485 63.546 0.00189863 -3.53851 63.546000 Cu 0.773925 0.110818 4.60065e-17 487 63.546 0.00494043 -3.53738 63.546000 Cu 0.884072 0.113632 5.01998e-17 344 63.546 0.000804917 -3.53929 63.546000 Cu 0.835002 0.0986714 0.5 345 63.546 0.00480975 -3.53773 63.546000 Cu 0.823068 0.125932 0.5 346 63.546 0.00177154 -3.53853 63.546000 Cu 0.945158 0.101187 0.5 350 63.546 0.00142914 -3.54015 63.546000 Cu 0.872271 0.141013 4.16934e-17 365 63.546 0.000383102 -3.53977 63.546000 Cu 0.933076 0.128669 0.5 367 63.546 0.000660976 -3.54039 63.546000 Cu 0.993959 0.116289 2.31231e-17 369 63.546 0.00217102 -3.54095 63.546000 Cu 0.0804715 0.174396 4.33707e-17 396 63.546 0.000293645 -3.54024 63.546000 Cu 0.0312725 0.159091 0.5 397 63.546 0.000550624 -3.54064 63.546000 Cu 0.0198683 0.186605 0.5 398 63.546 0.000376247 -3.54041 63.546000 Cu 0.0918246 0.146894 1.01837e-16 399 63.546 0.000766492 -3.54046 63.546000 Cu 0.141 0.162255 0.5 402 63.546 0.000156385 -3.53977 63.546000 Cu 0.1296 0.189698 0.5 433 63.546 0.000233851 -3.53989 63.546000 Cu 0.190255 0.177574 1.004e-16 435 63.546 0.000196517 -3.53931 63.546000 Cu 0.201578 0.150188 4.60065e-17 400 63.546 0.000670491 -3.53921 63.546000 Cu 0.300173 0.180666 1.78515e-17 436 63.546 0.000287359 -3.53961 63.546000 Cu 0.250884 0.165453 0.5 437 63.546 0.000466119 -3.53919 63.546000 Cu 0.311571 0.153276 4.60065e-17 439 63.546 0.000549342 -3.53943 63.546000 Cu 0.36086 0.168448 0.5 442 63.546 0.000213914 -3.54006 63.546000 Cu 0.410083 0.183628 4.60065e-17 475 63.546 0.000234368 -3.54028 63.546000 Cu 0.421495 0.156149 4.60065e-17 440 63.546 0.000145588 -3.54041 63.546000 Cu 0.482152 0.143831 0.5 446 63.546 0.000816953 -3.54073 63.546000 Cu 0.519868 0.186605 2.45608e-17 476 63.546 0.000376247 -3.54041 63.546000 Cu 0.470717 0.17135 0.5 477 63.546 0.000277822 -3.54051 63.546000 Cu 0.531272 0.159091 2.43212e-17 479 63.546 0.000550624 -3.54064 63.546000 Cu 0.591825 0.146894 0.5 481 63.546 0.000766492 -3.54046 63.546000 Cu 0.580472 0.174396 0.5 482 63.546 0.000293645 -3.54024 63.546000 Cu 0.641 0.162255 2.39617e-19 480 63.546 0.000156385 -3.53977 63.546000 Cu 0.701578 0.150188 0.5 486 63.546 0.000670491 -3.53921 63.546000 Cu 0.6296 0.189698 4.60065e-17 515 63.546 0.000233851 -3.53989 63.546000 Cu 0.690255 0.177574 0.5 517 63.546 0.000196517 -3.53931 63.546000 Cu 0.750884 0.165453 4.60065e-17 519 63.546 0.000466119 -3.53919 63.546000 Cu 0.811571 0.153276 0.5 520 63.546 0.000549342 -3.53943 63.546000 Cu 0.800173 0.180666 0.5 521 63.546 0.000287359 -3.53961 63.546000 Cu 0.86086 0.168448 4.60065e-17 364 63.546 0.000213914 -3.54006 63.546000 Cu 0.982152 0.143831 4.60065e-17 366 63.546 0.000816953 -3.54073 63.546000 Cu 0.921495 0.156149 0.5 368 63.546 0.000145588 -3.54041 63.546000 Cu 0.910083 0.183628 0.5 393 63.546 0.000234368 -3.54028 63.546000 Cu 0.970717 0.17135 1.51318e-16 395 63.546 0.000277822 -3.54051 63.546000 Cu 0.0568938 0.229344 4.60065e-17 428 63.546 0.000139678 -3.54019 63.546000 Cu 0.0688049 0.201879 7.93134e-17 431 63.546 0.000118444 -3.54026 63.546000 Cu 0.178596 0.20499 4.60065e-17 432 63.546 6.12272e-05 -3.53984 63.546000 Cu 0.117745 0.217148 0.5 434 63.546 8.14558e-05 -3.53998 63.546000 Cu 0.166671 0.232404 0 467 63.546 0.000109917 -3.53937 63.546000 Cu 0.007958 0.2141 0.5 429 63.546 4.42814e-05 -3.54038 63.546000 Cu 0.239452 0.192837 0.5 438 63.546 0.000280086 -3.53952 63.546000 Cu 0.276394 0.235504 4.60065e-17 468 63.546 3.90268e-05 -3.53964 63.546000 Cu 0.227548 0.220251 0.5 469 63.546 5.30747e-05 -3.53959 63.546000 Cu 0.288427 0.208081 6.09826e-17 471 63.546 0.000103143 -3.53974 63.546000 Cu 0.398226 0.211101 4.60065e-17 472 63.546 5.31343e-05 -3.54009 63.546000 Cu 0.34929 0.195885 0.5 473 63.546 0.000245724 -3.53985 63.546000 Cu 0.337345 0.223323 0.5 474 63.546 9.36553e-05 -3.54004 63.546000 Cu 0.459069 0.198847 0.5 478 63.546 0.000126231 -3.5403 63.546000 Cu 0.447125 0.226336 0.5 509 63.546 6.2392e-05 -3.54035 63.546000 Cu 0.507958 0.2141 2.39617e-19 511 63.546 4.42814e-05 -3.54038 63.546000 Cu 0.568805 0.201879 0.5 513 63.546 0.000118444 -3.54026 63.546000 Cu 0.556894 0.229344 0.5 514 63.546 0.000139678 -3.54019 63.546000 Cu 0.617745 0.217148 1.96127e-16 512 63.546 8.14558e-05 -3.53998 63.546000 Cu 0.739452 0.192837 2.97126e-17 516 63.546 0.000280086 -3.53952 63.546000 Cu 0.678596 0.20499 0.5 518 63.546 6.12272e-05 -3.53984 63.546000 Cu 0.666671 0.232404 0.5 549 63.546 0.000109917 -3.53937 63.546000 Cu 0.727548 0.220251 1.19809e-19 551 63.546 5.30747e-05 -3.53959 63.546000 Cu 0.788427 0.208081 0.5 552 63.546 0.000103143 -3.53974 63.546000 Cu 0.776394 0.235504 0.5 553 63.546 3.90268e-05 -3.53964 63.546000 Cu 0.837345 0.223323 2.97126e-17 390 63.546 9.36553e-05 -3.54004 63.546000 Cu 0.84929 0.195885 3.59426e-19 391 63.546 0.000245724 -3.53985 63.546000 Cu 0.959069 0.198847 1.19809e-19 392 63.546 0.000126231 -3.5403 63.546000 Cu 0.898226 0.211101 0.5 394 63.546 5.31343e-05 -3.54009 63.546000 Cu 0.947125 0.226336 2.39617e-19 427 63.546 6.2392e-05 -3.54035 63.546000 Cu 0.0327887 0.284253 0 460 63.546 7.13462e-05 -3.54011 63.546000 Cu 0.0446852 0.256792 2.39617e-19 463 63.546 0.000127721 -3.54005 63.546000 Cu 0.154471 0.259808 2.00081e-17 464 63.546 0.000201655 -3.5397 63.546000 Cu 0.105679 0.244577 0.5 465 63.546 7.49753e-05 -3.53981 63.546000 Cu 0.0936031 0.272006 0.5 466 63.546 0.000147199 -3.53982 63.546000 Cu 0.386177 0.238564 1.19809e-19 507 63.546 5.21929e-05 -3.54011 63.546000 Cu 0.215424 0.247653 0.5 470 63.546 4.9933e-05 -3.53942 63.546000 Cu 0.203453 0.275048 0.5 501 63.546 0.000167715 -3.53964 63.546000 Cu 0.26433 0.262915 0 503 63.546 5.58532e-05 -3.53972 63.546000 Cu 0.374106 0.266012 4.60065e-17 504 63.546 0.000110517 -3.54015 63.546000 Cu 0.325198 0.250756 0.5 505 63.546 0.000105025 -3.5398 63.546000 Cu 0.313301 0.278184 0.5 506 63.546 0.000101135 -3.5399 63.546000 Cu 0.495905 0.241575 4.60065e-17 508 63.546 1.21905e-05 -3.54017 63.546000 Cu 0.434951 0.253804 0.5 510 63.546 0.000108448 -3.54014 63.546000 Cu 0.42304 0.281285 0.5 541 63.546 0.000247962 -3.5405 63.546000 Cu 0.483855 0.269037 4.60065e-17 543 63.546 6.28345e-05 -3.54029 63.546000 Cu 0.593603 0.272006 1.09625e-16 544 63.546 0.000147199 -3.53982 63.546000 Cu 0.544685 0.256792 0.5 545 63.546 0.000127721 -3.54005 63.546000 Cu 0.532789 0.284253 0.5 546 63.546 7.13462e-05 -3.54011 63.546000 Cu 0.605679 0.244577 4.60065e-17 547 63.546 7.49753e-05 -3.53981 63.546000 Cu 0.715424 0.247653 1.22205e-16 548 63.546 4.9933e-05 -3.53942 63.546000 Cu 0.654471 0.259808 0.5 550 63.546 0.000201655 -3.5397 63.546000 Cu 0.703453 0.275048 1.15016e-17 583 63.546 0.000167715 -3.53964 63.546000 Cu 0.76433 0.262915 0.5 585 63.546 5.58532e-05 -3.53972 63.546000 Cu 0.886177 0.238564 0.5 425 63.546 5.21929e-05 -3.54011 63.546000 Cu 0.813301 0.278184 0 584 63.546 0.000101135 -3.5399 63.546000 Cu 0.825198 0.250756 4.80433e-17 423 63.546 0.000105025 -3.5398 63.546000 Cu 0.934951 0.253804 3.59426e-19 424 63.546 0.000108448 -3.54014 63.546000 Cu 0.874106 0.266012 0.5 426 63.546 0.000110517 -3.54015 63.546000 Cu 0.995905 0.241575 0.5 430 63.546 1.21905e-05 -3.54017 63.546000 Cu 0.92304 0.281285 2.11822e-16 459 63.546 0.000247962 -3.5405 63.546000 Cu 0.983855 0.269037 0.5 461 63.546 6.28345e-05 -3.54029 63.546000 Cu 0.0211313 0.311723 7.84747e-17 495 63.546 0.000179058 -3.54028 63.546000 Cu 0.131097 0.314588 4.60065e-17 496 63.546 0.000803995 -3.53953 63.546000 Cu 0.0818115 0.299437 0.5 497 63.546 0.000289387 -3.53986 63.546000 Cu 0.0703612 0.326859 0.5 498 63.546 0.000271296 -3.53982 63.546000 Cu 0.142583 0.287209 1.16933e-16 499 63.546 0.000449524 -3.53949 63.546000 Cu 0.191793 0.302427 0.5 502 63.546 0.000589328 -3.53925 63.546000 Cu 0.180452 0.329776 0.5 533 63.546 0.0017108 -3.5387 63.546000 Cu 0.252518 0.290317 1.11422e-17 500 63.546 0.000187902 -3.53953 63.546000 Cu 0.241114 0.317708 4.60065e-17 535 63.546 0.000415761 -3.53915 63.546000 Cu 0.350863 0.320983 0 536 63.546 0.000631764 -3.54041 63.546000 Cu 0.301675 0.30563 0.5 537 63.546 0.000188738 -3.53982 63.546000 Cu 0.290318 0.333079 0.5 538 63.546 0.000305075 -3.53982 63.546000 Cu 0.362282 0.293483 4.60065e-17 539 63.546 0.000306857 -3.54032 63.546000 Cu 0.411379 0.308785 0.5 542 63.546 0.000573004 -3.54055 63.546000 Cu 0.472006 0.296526 7.18852e-19 540 63.546 0.000315563 -3.54045 63.546000 Cu 0.460512 0.324036 1.64138e-17 575 63.546 0.000629438 -3.54051 63.546000 Cu 0.570361 0.326859 4.60065e-17 576 63.546 0.000271296 -3.53982 63.546000 Cu 0.521131 0.311723 0.5 577 63.546 0.000179058 -3.54028 63.546000 Cu 0.581811 0.299437 3.59426e-19 579 63.546 0.000289387 -3.53986 63.546000 Cu 0.691793 0.302427 4.60065e-17 580 63.546 0.000589328 -3.53925 63.546000 Cu 0.642583 0.287209 0.5 581 63.546 0.000449524 -3.53949 63.546000 Cu 0.631097 0.314588 0.5 582 63.546 0.000803995 -3.53953 63.546000 Cu 0.752518 0.290317 0.5 586 63.546 0.000187902 -3.53953 63.546000 Cu 0.680452 0.329776 2.504e-17 613 63.546 0.0017108 -3.5387 63.546000 Cu 0.790318 0.333079 4.60065e-17 614 63.546 0.000305075 -3.53982 63.546000 Cu 0.741114 0.317708 0.5 615 63.546 0.000415761 -3.53915 63.546000 Cu 0.801675 0.30563 3.04314e-17 617 63.546 0.000188738 -3.53982 63.546000 Cu 0.911379 0.308785 4.60065e-17 456 63.546 0.000573004 -3.54055 63.546000 Cu 0.862282 0.293483 0.5 457 63.546 0.000306857 -3.54032 63.546000 Cu 0.850863 0.320983 0.5 458 63.546 0.000631764 -3.54041 63.546000 Cu 0.972006 0.296526 0.5 462 63.546 0.000315563 -3.54045 63.546000 Cu 0.960512 0.324036 0.5 493 63.546 0.000629438 -3.54051 63.546000 Cu 0.108311 0.369236 5.99043e-19 528 63.546 0.00424894 -3.5382 63.546000 Cu 0.0589619 0.35425 0.5 529 63.546 0.000638542 -3.53957 63.546000 Cu 0.119743 0.341941 4.60065e-17 531 63.546 0.00177289 -3.53886 63.546000 Cu 0.169155 0.357079 0.5 534 63.546 0.00472796 -3.5377 63.546000 Cu 0.00966468 0.339198 2.06071e-17 492 63.546 0.000471068 -3.54025 63.546000 Cu 0.21849 0.37241 1.19809e-19 567 63.546 0.00452193 -3.53699 63.546000 Cu 0.229741 0.345078 4.60065e-17 532 63.546 0.00130293 -3.53842 63.546000 Cu 0.327949 0.376119 4.60065e-17 568 63.546 0.0050463 -3.54097 63.546000 Cu 0.278994 0.360541 0.5 569 63.546 0.000896193 -3.53943 63.546000 Cu 0.339428 0.348517 0 571 63.546 0.00173281 -3.54073 63.546000 Cu 0.399941 0.336329 0.5 573 63.546 0.00164146 -3.54093 63.546000 Cu 0.388396 0.363936 0.5 574 63.546 0.0048316 -3.54133 63.546000 Cu 0.448998 0.351582 1.22804e-16 572 63.546 0.00193429 -3.54103 63.546000 Cu 0.509665 0.339198 0.5 578 63.546 0.000471068 -3.54025 63.546000 Cu 0.437293 0.379189 7.33229e-17 605 63.546 0.00511837 -3.54114 63.546000 Cu 0.498096 0.366678 0.5 607 63.546 0.00110409 -3.54037 63.546000 Cu 0.558962 0.35425 4.60065e-17 609 63.546 0.000638542 -3.53957 63.546000 Cu 0.608311 0.369236 0.5 612 63.546 0.00424894 -3.5382 63.546000 Cu 0.669155 0.357079 1.19809e-19 610 63.546 0.00472796 -3.5377 63.546000 Cu 0.619743 0.341941 0.5 611 63.546 0.00177289 -3.53886 63.546000 Cu 0.729741 0.345078 0.5 616 63.546 0.00130293 -3.53842 63.546000 Cu 0.71849 0.37241 0.5 637 63.546 0.00452193 -3.53699 63.546000 Cu 0.778994 0.360541 1 639 63.546 0.000896193 -3.53943 63.546000 Cu 0.888396 0.363936 1.22564e-16 488 63.546 0.0048316 -3.54133 63.546000 Cu 0.839428 0.348517 0.5 489 63.546 0.00173281 -3.54073 63.546000 Cu 0.827949 0.376119 0.5 490 63.546 0.0050463 -3.54097 63.546000 Cu 0.899941 0.336329 0 491 63.546 0.00164146 -3.54093 63.546000 Cu 0.948998 0.351582 0.5 494 63.546 0.00193429 -3.54103 63.546000 Cu 0.937293 0.379189 0.5 525 63.546 0.00511837 -3.54114 63.546000 Cu 0.998096 0.366678 1 527 63.546 0.00110409 -3.54037 63.546000 Cu 0.0472737 0.381604 0.5 530 63.546 0.00177812 -3.53908 63.546000 Cu 0.0847031 0.423489 4.60065e-17 560 63.546 0.020804 -3.53494 63.546000 Cu 0.0353769 0.408939 0.5 561 63.546 0.00332299 -3.53821 63.546000 Cu 0.0965963 0.396427 3.95369e-18 563 63.546 0.0103795 -3.53678 63.546000 Cu 0.157677 0.384284 0.5 565 63.546 0.0129023 -3.53556 63.546000 Cu 0.146151 0.411286 0.5 566 63.546 0.0418601 -3.5308 63.546000 Cu 0.195784 0.426571 4.60065e-17 597 63.546 0.089102 -3.51779 63.546000 Cu 0.207101 0.399611 4.60065e-17 564 63.546 0.0188254 -3.53237 63.546000 Cu 0.267579 0.388032 0.5 570 63.546 0.0033342 -3.53891 63.546000 Cu 0.256132 0.415585 0.5 599 63.546 0.0143724 -3.53628 63.546000 Cu 0.316221 0.40385 6.70929e-17 601 63.546 0.0169429 -3.5415 63.546000 Cu 0.376648 0.391656 0.5 603 63.546 0.0135016 -3.54185 63.546000 Cu 0.364582 0.419542 0.5 604 63.546 0.0349671 -3.54145 63.546000 Cu 0.425325 0.406889 4.60065e-17 602 63.546 0.0116239 -3.54074 63.546000 Cu 0.547274 0.381604 4.60065e-17 606 63.546 0.00177812 -3.53908 63.546000 Cu 0.486264 0.394194 0.5 608 63.546 0.00251882 -3.54001 63.546000 Cu 0.474074 0.421745 0.5 629 63.546 0.00563514 -3.53843 63.546000 Cu 0.535377 0.408939 1.23163e-16 631 63.546 0.00332299 -3.53821 63.546000 Cu 0.596596 0.396427 0.5 633 63.546 0.0103795 -3.53678 63.546000 Cu 0.584703 0.423489 0.5 634 63.546 0.020804 -3.53494 63.546000 Cu 0.646151 0.411286 1.21845e-16 632 63.546 0.0418601 -3.5308 63.546000 Cu 0.657677 0.384284 1.17413e-17 635 63.546 0.0129023 -3.53556 63.546000 Cu 0.767579 0.388032 4.60065e-17 636 63.546 0.0033342 -3.53891 63.546000 Cu 0.707101 0.399611 0.5 638 63.546 0.0188254 -3.53237 63.546000 Cu 0.695784 0.426571 0.5 650 63.546 0.089102 -3.51779 63.546000 Cu 0.756132 0.415585 1.24601e-16 652 63.546 0.0143724 -3.53628 63.546000 Cu 0.816221 0.40385 0.5 653 63.546 0.0169429 -3.5415 63.546000 Cu 0.864582 0.419542 8.2668e-17 522 63.546 0.0349671 -3.54145 63.546000 Cu 0.876648 0.391656 0 523 63.546 0.0135016 -3.54185 63.546000 Cu 0.986264 0.394194 1.23523e-16 524 63.546 0.00251882 -3.54001 63.546000 Cu 0.925325 0.406889 0.5 526 63.546 0.0116239 -3.54074 63.546000 Cu 0.974074 0.421745 4.60065e-17 559 63.546 0.00563514 -3.53843 63.546000 Cu 0.0230797 0.436223 0.5 562 63.546 0.00557226 -3.53635 63.546000 Cu 0.0723557 0.450403 4.60065e-17 593 63.546 0.0304339 -3.53275 63.546000 Cu 0.184338 0.453 3.59426e-19 594 63.546 0.510278 -3.46856 63.546000 Cu 0.134458 0.437998 0.5 595 63.546 0.132582 -3.52274 63.546000 Cu 0.121967 0.464355 0.5 596 63.546 0.435109 -3.4989 63.546000 Cu 0.0106566 0.463487 0.5 591 63.546 0.0249311 -3.533 63.546000 Cu 0.304252 0.431817 4.60065e-17 598 63.546 0.0611499 -3.54004 63.546000 Cu 0.244861 0.443347 0.5 600 63.546 0.0845657 -3.52149 63.546000 Cu 0.23398 0.471803 0.5 621 63.546 5.53436 -3.42433 63.546000 Cu 0.291701 0.460262 1 623 63.546 0.27178 -3.51656 63.546000 Cu 0.352153 0.447745 0.5 625 63.546 0.0914296 -3.53413 63.546000 Cu 0.400278 0.462754 4.60065e-17 624 63.546 0.0521171 -3.52661 63.546000 Cu 0.412897 0.434723 1 627 63.546 0.0243984 -3.53778 63.546000 Cu 0.52308 0.436223 4.60065e-17 628 63.546 0.00557226 -3.53635 63.546000 Cu 0.461521 0.449341 0.5 630 63.546 0.0100992 -3.53324 63.546000 Cu 0.510657 0.463487 1.22564e-16 644 63.546 0.0249311 -3.533 63.546000 Cu 0.572356 0.450403 0.5 646 63.546 0.0304339 -3.53275 63.546000 Cu 0.791701 0.460262 0.5 16 63.546 0.27178 -3.51656 63.546000 Cu 0.73398 0.471803 4.60065e-17 34 63.546 5.53436 -3.42433 63.546000 Cu 0.621967 0.464355 4.60065e-17 645 63.546 0.435109 -3.4989 63.546000 Cu 0.634458 0.437998 1 648 63.546 0.132582 -3.52274 63.546000 Cu 0.744861 0.443347 1.3778e-16 649 63.546 0.0845657 -3.52149 63.546000 Cu 0.684338 0.453 0.5 651 63.546 0.510278 -3.46856 63.546000 Cu 0.804252 0.431817 0.5 654 63.546 0.0611499 -3.54004 63.546000 Cu 0.852153 0.447745 4.60065e-17 555 63.546 0.0914296 -3.53413 63.546000 Cu 0.961521 0.449341 4.60065e-17 556 63.546 0.0100992 -3.53324 63.546000 Cu 0.912897 0.434723 0.5 557 63.546 0.0243984 -3.53778 63.546000 Cu 0.900278 0.462754 0.5 558 63.546 0.0521171 -3.52661 63.546000 Cu 0.0606966 0.50435 4.60065e-17 1 63.546 0.127425 -3.5344 63.546000 Cu 0.121892 0.517332 0.5 2 63.546 0.45305 -3.4981 63.546000 Cu 0.0105943 0.518203 0.5 6 63.546 0.0298482 -3.53263 63.546000 Cu 0.170643 0.503314 4.60065e-17 58 63.546 7.1706 -3.25855 63.546000 Cu 0.0608908 0.477321 7.18852e-19 590 63.546 0.112981 -3.53416 63.546000 Cu 0.115017 0.49084 0.5 618 63.546 3.24575 -3.47149 63.546000 Cu 0.170863 0.478396 1 619 63.546 7.18552 -3.26176 63.546000 Cu 0.00376614 0.490833 0.5 592 63.546 0.12838 -3.54412 63.546000 Cu 0.339552 0.476521 0.5 626 63.546 0.350651 -3.50135 63.546000 Cu 0.233884 0.509768 0.5 622 63.546 5.51358 -3.42428 63.546000 Cu 0.275959 0.490804 1.22804e-16 620 63.546 4.5332 -3.5302 63.546000 Cu 0.339489 0.505051 0.5 640 63.546 0.362245 -3.50136 63.546000 Cu 0.391663 0.490802 0 641 63.546 0.25624 -3.52518 63.546000 Cu 0.291634 0.52131 4.60065e-17 61 63.546 0.281355 -3.51723 63.546000 Cu 0.450158 0.477017 0.5 643 63.546 0.0922093 -3.53256 63.546000 Cu 0.560697 0.50435 0.5 15 63.546 0.127425 -3.5344 63.546000 Cu 0.400183 0.518842 0 32 63.546 0.0594646 -3.526 63.546000 Cu 0.450098 0.504633 0.5 33 63.546 0.0956835 -3.53222 63.546000 Cu 0.510594 0.518203 4.60065e-17 35 63.546 0.0298482 -3.53263 63.546000 Cu 0.503766 0.490833 4.60065e-17 642 63.546 0.12838 -3.54412 63.546000 Cu 0.560891 0.477321 0.5 647 63.546 0.112981 -3.53416 63.546000 Cu 0.615017 0.49084 4.60065e-17 330 63.546 3.24575 -3.47149 63.546000 Cu 0.775959 0.490804 0.5 3 63.546 4.5332 -3.5302 63.546000 Cu 0.621892 0.517332 1.22325e-16 13 63.546 0.45305 -3.4981 63.546000 Cu 0.670643 0.503314 0.5 14 63.546 7.1706 -3.25855 63.546000 Cu 0.670863 0.478396 0.5 60 63.546 7.18552 -3.26176 63.546000 Cu 0.733884 0.509768 1.11422e-17 323 63.546 5.51358 -3.42428 63.546000 Cu 0.791634 0.52131 0.5 18 63.546 0.281355 -3.51723 63.546000 Cu 0.839552 0.476521 4.21727e-17 554 63.546 0.350651 -3.50135 63.546000 Cu 0.950158 0.477017 5.99043e-19 589 63.546 0.0922093 -3.53256 63.546000 Cu 0.950098 0.504633 4.60065e-17 4 63.546 0.0956835 -3.53222 63.546000 Cu 0.900183 0.518842 0.5 7 63.546 0.0594646 -3.526 63.546000 Cu 0.839489 0.505051 3.83388e-17 587 63.546 0.362245 -3.50136 63.546000 Cu 0.891663 0.490802 0.5 588 63.546 0.25624 -3.52518 63.546000 Cu 0.0725018 0.53126 8.53038e-17 8 63.546 0.0304251 -3.53229 63.546000 Cu 0.0854067 0.558164 4.60065e-17 9 63.546 0.0219671 -3.5345 63.546000 Cu 0.134785 0.543671 0.5 10 63.546 0.139292 -3.52246 63.546000 Cu 0.0234983 0.545435 0.5 11 63.546 0.00597163 -3.53545 63.546000 Cu 0.147231 0.570356 0.5 12 63.546 0.0456785 -3.5308 63.546000 Cu 0.184396 0.528664 1.13219e-16 59 63.546 0.53208 -3.46663 63.546000 Cu 0.196432 0.555063 4.60065e-17 92 63.546 0.0934534 -3.51798 63.546000 Cu 0.304738 0.549737 1.59346e-17 62 63.546 0.0672026 -3.54066 63.546000 Cu 0.352313 0.533823 0.5 63 63.546 0.0975539 -3.53389 63.546000 Cu 0.245077 0.53825 0.5 64 63.546 0.0866639 -3.52182 63.546000 Cu 0.365434 0.56201 0.5 68 63.546 0.0385242 -3.54159 63.546000 Cu 0.257082 0.56599 0.5 94 63.546 0.0149313 -3.53694 63.546000 Cu 0.523498 0.545435 3.35464e-18 36 63.546 0.00597163 -3.53545 63.546000 Cu 0.572502 0.53126 0.5 37 63.546 0.0304251 -3.53229 63.546000 Cu 0.461642 0.532301 0.5 38 63.546 0.0110113 -3.53187 63.546000 Cu 0.413395 0.546861 5.33149e-17 65 63.546 0.0256822 -3.53702 63.546000 Cu 0.474878 0.559881 0.5 67 63.546 0.00511679 -3.53727 63.546000 Cu 0.585407 0.558164 0.5 42 63.546 0.0219671 -3.5345 63.546000 Cu 0.745077 0.53825 1 17 63.546 0.0866639 -3.52182 63.546000 Cu 0.684396 0.528664 0.5 19 63.546 0.53208 -3.46663 63.546000 Cu 0.634785 0.543671 1 39 63.546 0.139292 -3.52246 63.546000 Cu 0.647231 0.570356 4.60065e-17 40 63.546 0.0456785 -3.5308 63.546000 Cu 0.696432 0.555063 0.5 41 63.546 0.0934534 -3.51798 63.546000 Cu 0.757082 0.56599 1 43 63.546 0.0149313 -3.53694 63.546000 Cu 0.961642 0.532301 3.59426e-19 5 63.546 0.0110113 -3.53187 63.546000 Cu 0.852313 0.533823 1.22444e-16 20 63.546 0.0975539 -3.53389 63.546000 Cu 0.865434 0.56201 1.18611e-17 21 63.546 0.0385242 -3.54159 63.546000 Cu 0.913395 0.546861 0.5 22 63.546 0.0256822 -3.53702 63.546000 Cu 0.804738 0.549737 0.5 23 63.546 0.0672026 -3.54066 63.546000 Cu 0.974878 0.559881 4.60065e-17 24 63.546 0.00511679 -3.53727 63.546000 Cu 0.0365478 0.57269 0.5 26 63.546 0.00357889 -3.53714 63.546000 Cu 0.0983121 0.585196 2.48004e-17 28 63.546 0.0117583 -3.53624 63.546000 Cu 0.111404 0.612348 4.60065e-17 29 63.546 0.0053219 -3.53758 63.546000 Cu 0.159984 0.59732 0.5 30 63.546 0.015105 -3.53527 63.546000 Cu 0.0497279 0.599977 0.5 31 63.546 0.00181118 -3.53825 63.546000 Cu 0.00134108 0.614862 4.60065e-17 51 63.546 0.00117145 -3.5397 63.546000 Cu 0.208649 0.581983 1.22205e-16 93 63.546 0.0195642 -3.53283 63.546000 Cu 0.317613 0.577684 2.09665e-16 95 63.546 0.0198846 -3.54202 63.546000 Cu 0.330611 0.605379 7.41616e-17 96 63.546 0.00674384 -3.54158 63.546000 Cu 0.378597 0.589882 0.5 97 63.546 0.014332 -3.54185 63.546000 Cu 0.269658 0.59351 0.5 98 63.546 0.00342111 -3.5395 63.546000 Cu 0.221353 0.609149 1.17413e-17 124 63.546 0.00500637 -3.53716 63.546000 Cu 0.391806 0.617562 0.5 102 63.546 0.00549589 -3.54144 63.546000 Cu 0.426578 0.574676 1.78635e-16 66 63.546 0.0128356 -3.53998 63.546000 Cu 0.536548 0.57269 3.95369e-17 69 63.546 0.00357889 -3.53714 63.546000 Cu 0.549728 0.599977 7.00881e-17 70 63.546 0.00181118 -3.53825 63.546000 Cu 0.488065 0.587389 0.5 72 63.546 0.00271445 -3.5389 63.546000 Cu 0.439879 0.602353 1.46167e-17 99 63.546 0.00499426 -3.54071 63.546000 Cu 0.501341 0.614862 0.5 101 63.546 0.00117145 -3.5397 63.546000 Cu 0.598312 0.585196 0.5 71 63.546 0.0117583 -3.53624 63.546000 Cu 0.769658 0.59351 1.02556e-16 44 63.546 0.00342111 -3.5395 63.546000 Cu 0.708649 0.581983 0.5 46 63.546 0.0195642 -3.53283 63.546000 Cu 0.659984 0.59732 4.61263e-17 73 63.546 0.015105 -3.53527 63.546000 Cu 0.721353 0.609149 0.5 75 63.546 0.00500637 -3.53716 63.546000 Cu 0.611404 0.612348 0.5 76 63.546 0.0053219 -3.53758 63.546000 Cu 0.988065 0.587389 2.65975e-17 25 63.546 0.00271445 -3.5389 63.546000 Cu 0.926578 0.574676 0.5 27 63.546 0.0128356 -3.53998 63.546000 Cu 0.817613 0.577684 0.5 45 63.546 0.0198846 -3.54202 63.546000 Cu 0.878597 0.589882 4.60065e-17 47 63.546 0.014332 -3.54185 63.546000 Cu 0.891806 0.617562 4.60065e-17 48 63.546 0.00549589 -3.54144 63.546000 Cu 0.939879 0.602353 0.5 49 63.546 0.00499426 -3.54071 63.546000 Cu 0.830611 0.605379 0.5 50 63.546 0.00674384 -3.54158 63.546000 Cu 0.0145979 0.642311 2.53994e-17 52 63.546 0.000519398 -3.53975 63.546000 Cu 0.0628917 0.627294 0.5 53 63.546 0.000838442 -3.53893 63.546000 Cu 0.124509 0.639587 4.60065e-17 55 63.546 0.00231803 -3.53839 63.546000 Cu 0.0762072 0.654633 0.5 57 63.546 0.000401487 -3.53925 63.546000 Cu 0.172929 0.624468 0.5 127 63.546 0.0053027 -3.53763 63.546000 Cu 0.18611 0.651701 0.5 157 63.546 0.00171175 -3.53841 63.546000 Cu 0.23441 0.636425 5.99043e-19 125 63.546 0.00164865 -3.53885 63.546000 Cu 0.282579 0.620959 0.5 126 63.546 0.0010704 -3.54013 63.546000 Cu 0.343812 0.632955 3.89378e-17 128 63.546 0.00245092 -3.54092 63.546000 Cu 0.356919 0.660476 4.79235e-19 129 63.546 0.000785784 -3.54051 63.546000 Cu 0.295734 0.648388 0.5 131 63.546 0.00052963 -3.53995 63.546000 Cu 0.247479 0.663756 4.60065e-17 158 63.546 0.000714347 -3.53911 63.546000 Cu 0.453134 0.629931 4.60065e-17 100 63.546 0.00184735 -3.54043 63.546000 Cu 0.562892 0.627294 4.60065e-17 103 63.546 0.000838442 -3.53893 63.546000 Cu 0.576207 0.654633 2.99522e-17 104 63.546 0.000401487 -3.53925 63.546000 Cu 0.514598 0.642311 0.5 106 63.546 0.000519398 -3.53975 63.546000 Cu 0.405058 0.64515 0.5 130 63.546 0.00184278 -3.54062 63.546000 Cu 0.46642 0.657444 3.59426e-19 132 63.546 0.000676929 -3.54037 63.546000 Cu 0.672929 0.624468 4.60065e-17 74 63.546 0.0053027 -3.53763 63.546000 Cu 0.73441 0.636425 0.5 80 63.546 0.00164865 -3.53885 63.546000 Cu 0.624509 0.639587 0.5 105 63.546 0.00231803 -3.53839 63.546000 Cu 0.68611 0.651701 0 107 63.546 0.00171175 -3.53841 63.546000 Cu 0.747479 0.663756 0.5 109 63.546 0.000714347 -3.53911 63.546000 Cu 0.782579 0.620959 4.60065e-17 77 63.546 0.0010704 -3.54013 63.546000 Cu 0.795734 0.648388 1.24361e-16 78 63.546 0.00052963 -3.53995 63.546000 Cu 0.953134 0.629931 0.5 54 63.546 0.00184735 -3.54043 63.546000 Cu 0.843812 0.632955 0.5 79 63.546 0.00245092 -3.54092 63.546000 Cu 0.905058 0.64515 4.60065e-17 81 63.546 0.00184278 -3.54062 63.546000 Cu 0.96642 0.657444 0.5 83 63.546 0.000676929 -3.54037 63.546000 Cu 0.856919 0.660476 0.5 84 63.546 0.000785784 -3.54051 63.546000 Cu 0.137727 0.666868 4.60065e-17 56 63.546 0.0010396 -3.53907 63.546000 Cu 0.0278592 0.669729 1.01718e-16 85 63.546 0.0003409 -3.54029 63.546000 Cu 0.0405984 0.697178 4.60065e-17 86 63.546 0.000104792 -3.54014 63.546000 Cu 0.0891471 0.682006 0.5 87 63.546 0.000263574 -3.54003 63.546000 Cu 0.150343 0.694229 6.8291e-17 89 63.546 0.000301799 -3.53952 63.546000 Cu 0.101695 0.709429 0.5 91 63.546 0.000217523 -3.53991 63.546000 Cu 0.199005 0.679019 0.5 161 63.546 0.000602699 -3.53911 63.546000 Cu 0.260134 0.691139 4.60065e-17 159 63.546 0.000232636 -3.53951 63.546000 Cu 0.308618 0.675835 0.5 160 63.546 0.000147161 -3.53998 63.546000 Cu 0.369776 0.687949 1.4377e-16 162 63.546 0.000335878 -3.54043 63.546000 Cu 0.321272 0.703257 0.5 165 63.546 0.000174252 -3.54014 63.546000 Cu 0.211476 0.70638 0.5 190 63.546 7.76869e-05 -3.53937 63.546000 Cu 0.47939 0.6849 2.48004e-17 133 63.546 0.000366729 -3.54036 63.546000 Cu 0.527859 0.669729 0.5 134 63.546 0.0003409 -3.54029 63.546000 Cu 0.418135 0.672658 0.5 135 63.546 0.000772502 -3.54054 63.546000 Cu 0.540598 0.697178 0.5 139 63.546 0.000104792 -3.54014 63.546000 Cu 0.430943 0.70013 0.5 164 63.546 0.00051327 -3.54041 63.546000 Cu 0.492021 0.712372 0 166 63.546 0.000216663 -3.54034 63.546000 Cu 0.589147 0.682006 4.60065e-17 136 63.546 0.000263574 -3.54003 63.546000 Cu 0.699005 0.679019 4.60065e-17 108 63.546 0.000602699 -3.53911 63.546000 Cu 0.637727 0.666868 0.5 110 63.546 0.0010396 -3.53907 63.546000 Cu 0.760134 0.691139 0.5 114 63.546 0.000232636 -3.53951 63.546000 Cu 0.601695 0.709429 1.22444e-16 137 63.546 0.000217523 -3.53991 63.546000 Cu 0.650343 0.694229 0.5 138 63.546 0.000301799 -3.53952 63.546000 Cu 0.711476 0.70638 0 140 63.546 7.76869e-05 -3.53937 63.546000 Cu 0.992021 0.712372 0.5 117 63.546 0.000216663 -3.54034 63.546000 Cu 0.918135 0.672658 4.60065e-17 82 63.546 0.000772502 -3.54054 63.546000 Cu 0.97939 0.6849 0.5 88 63.546 0.000366729 -3.54036 63.546000 Cu 0.808618 0.675835 1 111 63.546 0.000147161 -3.53998 63.546000 Cu 0.821272 0.703257 4.60065e-17 112 63.546 0.000174252 -3.54014 63.546000 Cu 0.869776 0.687949 0.5 113 63.546 0.000335878 -3.54043 63.546000 Cu 0.930943 0.70013 5.7628e-17 115 63.546 0.00051327 -3.54041 63.546000 Cu 0.162722 0.721616 1.22444e-16 90 63.546 0.00010358 -3.53956 63.546000 Cu 0.0529977 0.724647 7.75162e-17 119 63.546 0.000116502 -3.5402 63.546000 Cu 0.0652408 0.75211 6.17015e-17 120 63.546 0.000284707 -3.54026 63.546000 Cu 0.113999 0.736865 0.5 121 63.546 0.00028058 -3.53985 63.546000 Cu 0.00430462 0.739854 0.5 122 63.546 5.3488e-05 -3.54033 63.546000 Cu 0.175013 0.749002 3.83388e-17 222 63.546 0.000100572 -3.53968 63.546000 Cu 0.382314 0.715405 4.60065e-17 163 63.546 0.000141652 -3.54039 63.546000 Cu 0.272549 0.718517 4.79235e-19 191 63.546 2.48882e-05 -3.53966 63.546000 Cu 0.284899 0.745906 4.60065e-17 192 63.546 0.000241468 -3.53971 63.546000 Cu 0.333625 0.730672 0.5 193 63.546 7.88309e-05 -3.53982 63.546000 Cu 0.223807 0.733751 0.5 194 63.546 4.80116e-05 -3.53951 63.546000 Cu 0.345812 0.758105 0.5 198 63.546 7.49631e-05 -3.53984 63.546000 Cu 0.394625 0.742863 8.67415e-17 195 63.546 8.59477e-05 -3.54003 63.546000 Cu 0.235934 0.761135 0.5 224 63.546 0.000186875 -3.53971 63.546000 Cu 0.504305 0.739854 0 167 63.546 5.3488e-05 -3.54033 63.546000 Cu 0.552998 0.724647 0.5 168 63.546 0.000116502 -3.5402 63.546000 Cu 0.443296 0.727607 0.5 169 63.546 0.000149694 -3.54036 63.546000 Cu 0.565241 0.75211 0.5 173 63.546 0.000284707 -3.54026 63.546000 Cu 0.455548 0.755087 0.5 197 63.546 8.34076e-05 -3.54047 63.546000 Cu 0.723807 0.733751 3.16295e-17 141 63.546 4.80116e-05 -3.53951 63.546000 Cu 0.772549 0.718517 0.5 142 63.546 2.48882e-05 -3.53966 63.546000 Cu 0.662722 0.721616 0.5 143 63.546 0.00010358 -3.53956 63.546000 Cu 0.613999 0.736865 1.22205e-16 170 63.546 0.00028058 -3.53985 63.546000 Cu 0.675013 0.749002 0.5 172 63.546 0.000100572 -3.53968 63.546000 Cu 0.784899 0.745906 0.5 147 63.546 0.000241468 -3.53971 63.546000 Cu 0.735934 0.761135 2.37221e-17 174 63.546 0.000186875 -3.53971 63.546000 Cu 0.943296 0.727607 1.19809e-19 116 63.546 0.000149694 -3.54036 63.546000 Cu 0.882314 0.715405 0.5 118 63.546 0.000141652 -3.54039 63.546000 Cu 0.833625 0.730672 4.60065e-17 144 63.546 7.88309e-05 -3.53982 63.546000 Cu 0.845812 0.758105 4.60065e-17 145 63.546 7.49631e-05 -3.53984 63.546000 Cu 0.894625 0.742863 0.5 146 63.546 8.59477e-05 -3.54003 63.546000 Cu 0.955548 0.755087 4.60065e-17 148 63.546 8.34076e-05 -3.54047 63.546000 Cu 0.126093 0.764293 0.5 123 63.546 0.000227492 -3.53989 63.546000 Cu 0.0163789 0.767356 0.5 150 63.546 0.000158384 -3.54062 63.546000 Cu 0.077301 0.77959 4.60065e-17 152 63.546 0.000596768 -3.54035 63.546000 Cu 0.089718 0.807074 1.63898e-16 153 63.546 0.000628779 -3.54041 63.546000 Cu 0.138349 0.791723 0.5 154 63.546 7.03969e-05 -3.54001 63.546000 Cu 0.0286668 0.79488 0.5 155 63.546 0.000771362 -3.54074 63.546000 Cu 0.187038 0.776398 0 223 63.546 0.000268752 -3.53968 63.546000 Cu 0.19936 0.803814 1.22564e-16 256 63.546 0.000272562 -3.53943 63.546000 Cu 0.296874 0.773305 4.60065e-17 225 63.546 0.00022413 -3.53958 63.546000 Cu 0.309127 0.800695 0 226 63.546 0.000545996 -3.53912 63.546000 Cu 0.357908 0.785519 0.5 227 63.546 0.000177913 -3.53962 63.546000 Cu 0.248071 0.788525 0.5 228 63.546 0.00047312 -3.53943 63.546000 Cu 0.406716 0.770326 1.19809e-19 196 63.546 0.000117778 -3.54013 63.546000 Cu 0.516379 0.767356 3.59426e-19 199 63.546 0.000158384 -3.54062 63.546000 Cu 0.528667 0.79488 4.60065e-17 200 63.546 0.000771362 -3.54074 63.546000 Cu 0.577301 0.77959 0.5 201 63.546 0.000596768 -3.54035 63.546000 Cu 0.467666 0.782594 0.5 202 63.546 0.000167997 -3.5405 63.546000 Cu 0.419014 0.79779 1.22564e-16 229 63.546 0.000204725 -3.54013 63.546000 Cu 0.589718 0.807074 0.5 206 63.546 0.000628779 -3.54041 63.546000 Cu 0.626093 0.764293 1.45088e-16 171 63.546 0.000227492 -3.53989 63.546000 Cu 0.748071 0.788525 1.24601e-17 175 63.546 0.00047312 -3.53943 63.546000 Cu 0.687038 0.776398 0.5 177 63.546 0.000268752 -3.53968 63.546000 Cu 0.638349 0.791723 1.00879e-16 203 63.546 7.03969e-05 -3.54001 63.546000 Cu 0.69936 0.803814 0.5 205 63.546 0.000272562 -3.53943 63.546000 Cu 0.796874 0.773305 0.5 176 63.546 0.00022413 -3.53958 63.546000 Cu 0.967666 0.782594 4.60065e-17 149 63.546 0.000167997 -3.5405 63.546000 Cu 0.906716 0.770326 0.5 151 63.546 0.000117778 -3.54013 63.546000 Cu 0.857908 0.785519 4.60065e-17 178 63.546 0.000177913 -3.53962 63.546000 Cu 0.919014 0.79779 0.5 180 63.546 0.000204725 -3.54013 63.546000 Cu 0.809127 0.800695 0.5 181 63.546 0.000545996 -3.53912 63.546000 Cu 0.1507 0.819172 0.5 156 63.546 0.000286942 -3.53987 63.546000 Cu 0.0412326 0.822417 0.5 184 63.546 0.00190921 -3.54077 63.546000 Cu 0.10226 0.834598 7.22446e-17 186 63.546 0.00138743 -3.54068 63.546000 Cu 0.163257 0.84665 0.5 188 63.546 0.00106541 -3.53995 63.546000 Cu 0.0540165 0.850014 0.5 189 63.546 0.0045918 -3.54121 63.546000 Cu 0.37031 0.812917 0.5 232 63.546 0.00058572 -3.53945 63.546000 Cu 0.211733 0.831198 0 257 63.546 0.00107266 -3.53889 63.546000 Cu 0.260383 0.815895 0.5 258 63.546 0.00116657 -3.53875 63.546000 Cu 0.321645 0.828025 4.60065e-17 259 63.546 0.00184468 -3.53869 63.546000 Cu 0.334367 0.855296 1.70488e-16 260 63.546 0.00500827 -3.53788 63.546000 Cu 0.383018 0.840295 0.5 261 63.546 0.00118594 -3.53919 63.546000 Cu 0.272943 0.843187 0.5 262 63.546 0.00377608 -3.53776 63.546000 Cu 0.431584 0.825257 1.506e-16 230 63.546 0.000397489 -3.54014 63.546000 Cu 0.480125 0.810115 0.5 231 63.546 0.000712746 -3.54076 63.546000 Cu 0.541233 0.822417 2.39617e-19 233 63.546 0.00190921 -3.54077 63.546000 Cu 0.554016 0.850014 6.79315e-17 234 63.546 0.0045918 -3.54121 63.546000 Cu 0.492846 0.837666 0.5 236 63.546 0.00238749 -3.54061 63.546000 Cu 0.444425 0.852736 4.60065e-17 263 63.546 0.000912827 -3.53977 63.546000 Cu 0.6507 0.819172 1.18611e-17 204 63.546 0.000286942 -3.53987 63.546000 Cu 0.760383 0.815895 4.60065e-17 207 63.546 0.00116657 -3.53875 63.546000 Cu 0.772943 0.843187 1.23403e-17 208 63.546 0.00377608 -3.53776 63.546000 Cu 0.711733 0.831198 0.5 210 63.546 0.00107266 -3.53889 63.546000 Cu 0.60226 0.834598 0.5 235 63.546 0.00138743 -3.54068 63.546000 Cu 0.663257 0.84665 3.59426e-19 237 63.546 0.00106541 -3.53995 63.546000 Cu 0.992846 0.837666 4.60065e-17 183 63.546 0.00238749 -3.54061 63.546000 Cu 0.87031 0.812917 6.52957e-17 179 63.546 0.00058572 -3.53945 63.546000 Cu 0.980125 0.810115 4.60065e-17 182 63.546 0.000712746 -3.54076 63.546000 Cu 0.931584 0.825257 0.5 185 63.546 0.000397489 -3.54014 63.546000 Cu 0.821645 0.828025 0.5 209 63.546 0.00184468 -3.53869 63.546000 Cu 0.883018 0.840295 4.60065e-17 211 63.546 0.00118594 -3.53919 63.546000 Cu 0.944425 0.852736 0.5 213 63.546 0.000912827 -3.53977 63.546000 Cu 0.834367 0.855296 0.5 214 63.546 0.00500827 -3.53788 63.546000 Cu 0.114994 0.862221 5.12781e-17 187 63.546 0.00523097 -3.54142 63.546000 Cu 0.00574805 0.865265 4.60065e-17 215 63.546 0.00542334 -3.54058 63.546000 Cu 0.018571 0.892971 7.52399e-17 216 63.546 0.0119674 -3.54006 63.546000 Cu 0.0668343 0.877747 0.5 217 63.546 0.0135239 -3.54173 63.546000 Cu 0.127586 0.889982 0 219 63.546 0.0192726 -3.54169 63.546000 Cu 0.175775 0.874158 0.5 289 63.546 0.0039851 -3.53943 63.546000 Cu 0.187918 0.901714 0.5 309 63.546 0.0152469 -3.53649 63.546000 Cu 0.224267 0.858518 1.33707e-16 286 63.546 0.00424963 -3.53728 63.546000 Cu 0.236613 0.885716 2.39617e-19 287 63.546 0.0179908 -3.53267 63.546000 Cu 0.285561 0.870361 0.5 288 63.546 0.0133854 -3.53539 63.546000 Cu 0.347041 0.882468 1.22564e-16 290 63.546 0.0119795 -3.53645 63.546000 Cu 0.297876 0.897343 0.5 293 63.546 0.0446222 -3.53104 63.546000 Cu 0.395876 0.867653 0.5 266 63.546 0.00219466 -3.53856 63.546000 Cu 0.457309 0.880242 2.39617e-19 264 63.546 0.00243266 -3.5391 63.546000 Cu 0.505748 0.865265 0.5 265 63.546 0.00542334 -3.54058 63.546000 Cu 0.566834 0.877747 3.59426e-19 267 63.546 0.0135239 -3.54173 63.546000 Cu 0.518571 0.892971 0.5 270 63.546 0.0119674 -3.54006 63.546000 Cu 0.408578 0.894974 0.5 292 63.546 0.00375506 -3.53784 63.546000 Cu 0.675775 0.874158 3.59426e-19 238 63.546 0.0039851 -3.53943 63.546000 Cu 0.724267 0.858518 0.5 239 63.546 0.00424963 -3.53728 63.546000 Cu 0.614994 0.862221 0.5 240 63.546 0.00523097 -3.54142 63.546000 Cu 0.736613 0.885716 0.5 244 63.546 0.0179908 -3.53267 63.546000 Cu 0.627586 0.889982 0.5 269 63.546 0.0192726 -3.54169 63.546000 Cu 0.687918 0.901714 1.19809e-19 271 63.546 0.0152469 -3.53649 63.546000 Cu 0.785561 0.870361 5.91855e-17 241 63.546 0.0133854 -3.53539 63.546000 Cu 0.797876 0.897343 1.22564e-16 242 63.546 0.0446222 -3.53104 63.546000 Cu 0.895876 0.867653 4.60065e-17 212 63.546 0.00219466 -3.53856 63.546000 Cu 0.957309 0.880242 0.5 218 63.546 0.00243266 -3.5391 63.546000 Cu 0.847041 0.882468 0.5 243 63.546 0.0119795 -3.53645 63.546000 Cu 0.908578 0.894974 4.60065e-17 245 63.546 0.00375506 -3.53784 63.546000 Cu 0.139993 0.91796 4.60065e-17 220 63.546 0.0647379 -3.54003 63.546000 Cu 0.0794899 0.905673 0.5 221 63.546 0.0381491 -3.54123 63.546000 Cu 0.0313246 0.920838 2.21646e-17 249 63.546 0.0247618 -3.53713 63.546000 Cu 0.044133 0.948912 1.44609e-16 250 63.546 0.0560905 -3.52579 63.546000 Cu 0.0921849 0.933913 0.5 251 63.546 0.0995 -3.53352 63.546000 Cu 0.152675 0.946416 1.86422e-16 253 63.546 0.274258 -3.51548 63.546000 Cu 0.199508 0.929472 0.5 313 63.546 0.0837782 -3.52108 63.546000 Cu 0.359481 0.909543 1.379e-16 291 63.546 0.0220418 -3.53529 63.546000 Cu 0.248462 0.91267 1.22325e-16 310 63.546 0.0876351 -3.51811 63.546000 Cu 0.260078 0.939112 2.4441e-16 311 63.546 0.511418 -3.47013 63.546000 Cu 0.30991 0.924078 0.5 312 63.546 0.13551 -3.52347 63.546000 Cu 0.372029 0.936503 1.99242e-16 314 63.546 0.0305352 -3.53314 63.546000 Cu 0.322466 0.950473 0.5 317 63.546 0.436753 -3.50042 63.546000 Cu 0.57949 0.905673 0 268 63.546 0.0381491 -3.54123 63.546000 Cu 0.470033 0.907798 7.32031e-17 294 63.546 0.00480401 -3.53782 63.546000 Cu 0.482834 0.935437 0 295 63.546 0.00990332 -3.53259 63.546000 Cu 0.531325 0.920838 0.5 296 63.546 0.0247618 -3.53713 63.546000 Cu 0.421193 0.922289 0.5 297 63.546 0.00587688 -3.53638 63.546000 Cu 0.544133 0.948912 0.5 301 63.546 0.0560905 -3.52579 63.546000 Cu 0.433758 0.949589 0.5 316 63.546 0.0275528 -3.53327 63.546000 Cu 0.592185 0.933913 8.91377e-17 298 63.546 0.0995 -3.53352 63.546000 Cu 0.699508 0.929472 1.20408e-16 272 63.546 0.0837782 -3.52108 63.546000 Cu 0.748462 0.91267 0.5 273 63.546 0.0876351 -3.51811 63.546000 Cu 0.639993 0.91796 0.5 274 63.546 0.0647379 -3.54003 63.546000 Cu 0.760078 0.939112 0.5 278 63.546 0.511418 -3.47013 63.546000 Cu 0.652675 0.946416 0.5 300 63.546 0.274258 -3.51548 63.546000 Cu 0.921193 0.922289 7.85945e-17 246 63.546 0.00587688 -3.53638 63.546000 Cu 0.970033 0.907798 0.5 247 63.546 0.00480401 -3.53782 63.546000 Cu 0.859481 0.909543 0.5 248 63.546 0.0220418 -3.53529 63.546000 Cu 0.982834 0.935437 0.5 252 63.546 0.00990332 -3.53259 63.546000 Cu 0.80991 0.924078 1.22804e-16 275 63.546 0.13551 -3.52347 63.546000 Cu 0.872029 0.936503 0.5 277 63.546 0.0305352 -3.53314 63.546000 Cu 0.933758 0.949589 1.10583e-16 279 63.546 0.0275528 -3.53327 63.546000 Cu 0.822466 0.950473 4.60065e-17 276 63.546 0.436753 -3.50042 63.546000 Cu 0.168434 0.976973 4.60065e-17 254 63.546 4.5587 -3.5271 63.546000 Cu 0.104855 0.962731 0.5 255 63.546 0.369166 -3.50047 63.546000 Cu 0.0526115 0.97699 7.58389e-17 283 63.546 0.250058 -3.52444 63.546000 Cu 0.104816 0.991285 0.5 284 63.546 0.358718 -3.50023 63.546000 Cu 0.383508 0.963454 1.02916e-16 315 63.546 0.117233 -3.53503 63.546000 Cu 0.210427 0.957937 0.5 324 63.546 5.56322 -3.42344 63.546000 Cu 0.273561 0.964556 1.38259e-16 325 63.546 7.20729 -3.26182 63.546000 Cu 0.27362 0.98946 1.19809e-19 326 63.546 7.20465 -3.2609 63.546000 Cu 0.329275 0.976998 0.5 327 63.546 3.27834 -3.47141 63.546000 Cu 0.210387 0.996026 0.5 328 63.546 5.54993 -3.42338 63.546000 Cu 0.383537 0.990526 4.25321e-17 329 63.546 0.119699 -3.53491 63.546000 Cu 0.494169 0.963162 1.91814e-16 318 63.546 0.0911824 -3.53243 63.546000 Cu 0.494178 0.990825 1.38619e-16 319 63.546 0.0924836 -3.53229 63.546000 Cu 0.552611 0.97699 0.5 320 63.546 0.250058 -3.52444 63.546000 Cu 0.440546 0.976997 0.5 321 63.546 0.127064 -3.54444 63.546000 Cu 0.604855 0.962731 1.39218e-16 299 63.546 0.369166 -3.50047 63.546000 Cu 0.710427 0.957937 4.60065e-17 302 63.546 5.56322 -3.42344 63.546000 Cu 0.710387 0.996026 1.19809e-19 303 63.546 5.54993 -3.42338 63.546000 Cu 0.773561 0.964556 0.5 304 63.546 7.20729 -3.26182 63.546000 Cu 0.668434 0.976973 0.5 305 63.546 4.5587 -3.5271 63.546000 Cu 0.604816 0.991285 0 322 63.546 0.358718 -3.50023 63.546000 Cu 0.77362 0.98946 0.5 308 63.546 7.20465 -3.2609 63.546000 Cu 0.994169 0.963162 0.5 281 63.546 0.0911824 -3.53243 63.546000 Cu 0.994178 0.990825 0.5 285 63.546 0.0924836 -3.53229 63.546000 Cu 0.940546 0.976997 4.60065e-17 280 63.546 0.127064 -3.54444 63.546000 Cu 0.883508 0.963454 0.5 282 63.546 0.117233 -3.53503 63.546000 Cu 0.829275 0.976998 4.60065e-17 306 63.546 3.27834 -3.47141 63.546000 Cu 0.883537 0.990526 0.5 307 63.546 0.119699 -3.53491